SCHEMBL4097325

SCHEMBL4097325

NC(=O)c1sc(-c2ccc(Cl)cc2)cc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 9/20 1.00
MAPT P10636 10/20 0.74
ALDH1A1 P00352 5/20 0.74
POLB P06746 1/20 0.74
CYP1A2 P05177 3/20 0.71
CYP2C9 P11712 3/20 0.71
CYP3A4 P08684 2/20 0.71
CYP2C19 P33261 2/20 0.71
CHUK O15111 1/20 0.71
BTK Q06187 1/20 0.71
KDM4E B2RXH2 7/20 0.70
RAB9A P51151 5/20 0.70
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
GAA P10253 1/20 0.70
GFER P55789 1/20 0.70
NPC1 O15118 4/20 0.68
CASP3 P42574 2/20 0.68
SENP8 Q96LD8 2/20 0.68
SENP7 Q9BQF6 2/20 0.68

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1144476 0.87 IKBKB (0.77) IKBKBMAPTALDH1A1POLBCYP1A2
SCHEMBL6612593 0.86 IKBKB (0.76) IKBKBMAPTALDH1A1POLBCYP1A2
SCHEMBL4086753 0.86 IKBKB (0.75) IKBKBMAPTALDH1A1POLBCYP1A2
SCHEMBL5362627 0.85 MAPT (1.00) IKBKBMAPTALDH1A1POLBCYP1A2
SCHEMBL6608113 0.85 IKBKB (0.73) IKBKBMAPTALDH1A1POLBCYP1A2
SCHEMBL6607364 0.84 IKBKB (0.72) IKBKBMAPTALDH1A1POLBCYP1A2
SCHEMBL6611685 0.83 IKBKB (0.72) IKBKBMAPTALDH1A1POLBCYP1A2
SCHEMBL4091841 0.83 IKBKB (1.00) IKBKBMAPTALDH1A1POLBCYP1A2
SCHEMBL1847243 0.83 IKBKB (1.00) IKBKBMAPTALDH1A1POLBCYP1A2
SCHEMBL1531346 0.81 MAPT (1.00) IKBKBMAPTALDH1A1POLBCYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166639-B2 NF-κB inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-01-23 US claimed
US-20040192943-A1 Nf-kappab inhibitors SMITHKLINE BEECHAM CORPORATION 2004-09-30 US claimed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
US-20110251216-A1 COMPOSITIONS AND METHODS FOR INHIBITING EZH2 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-10-13 US disclosed
US-20090181962-A1 Substituted thiophene compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2009-07-16 US disclosed
EP-1448545-B1 NF-KB INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-11-19 EP disclosed
US-7358376-B2 Substituted Thiophene compounds ASTRAZENECA AB (SE) 2008-04-15 US disclosed
US-7166639-B2 NF-κB inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-01-23 US disclosed
CN-1243747-C Heteroaromatic carboxamide derivatives and their use as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2006-03-01 CN disclosed
EP-1448545-A4 NF-KB INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-01-12 EP disclosed
US-20040192943-A1 Nf-kappab inhibitors SMITHKLINE BEECHAM CORPORATION 2004-09-30 US disclosed
EP-1448545-A1 NF-KB INHIBITORS SmithKline Beecham Corporation (US) 2004-08-25 EP disclosed
EP-1261600-B1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2004-05-06 EP disclosed
WO-2003029242-A1 NF-λB INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-10 WO disclosed
EP-1261600-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 AstraZeneca AB (SE) 2002-12-04 EP disclosed
US-20020107252-A1 Novel Compounds ASTRAZENECA AB (SE) 2002-08-08 US disclosed
WO-2001058890-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2001-08-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090181962-A1 Substituted thiophene compounds ABCG2, SULT1E1, TPMT IKBKB 3065/4885MAPT 2469/4885ALDH1A1 165/4885
US-20020107252-A1 Novel Compounds UGT1A1, CYP1B1, CYP1A1 IKBKB 2413/4885MAPT 2580/4885ALDH1A1 35/4885
US-20040192943-A1 Nf-kappab inhibitors NFKBIA, IKBKB, IKBKG IKBKB 2/4885MAPT 1500/4885ALDH1A1 3660/4885
US-20110251216-A1 COMPOSITIONS AND METHODS FOR INHIBITING EZH2 EZH2, BMI1, EZH1 IKBKB 1272/4885MAPT 3335/4885ALDH1A1 3791/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.